(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C17H18BrNO2 — CID 103900236

IUPAC(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1O
InChIInChI=1S/C17H18BrNO2/c1-11-6-7-19(10-16(11)20)17(21)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-5,8-9,11,16,20H,6-7,10H2,1H3
InChIKeyDKVQLDWXXKPRLP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.45
Rot. Bonds1

About (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900236) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900236
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1O
InChIInChI=1S/C17H18BrNO2/c1-11-6-7-19(10-16(11)20)17(21)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-5,8-9,11,16,20H,6-7,10H2,1H3
InChIKeyDKVQLDWXXKPRLP-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900236) is (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1O.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DKVQLDWXXKPRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-6-7-19(10-16(11)20)17(21)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-5,8-9,11,16,20H,6-7,10H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 348.24 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).